| SpectraBase Spectrum ID |
AeHwKLUrAtu |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.167459249 u |
| Formula |
C19H24O4 |
| InChI |
InChI=1S/C19H24O4/c1-2-22-18(20)16-12-6-7-13-17(16)19(21)23-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,16-17H,2,8,11-14H2,1H3 |
| InChIKey |
IIFLFIBYMGAWNO-UHFFFAOYSA-N |
| Molecular Weight |
316.397 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896654 |
